BioLiP

PDB

BioLiP

PDB CCD ID:

8S7

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O2

InChI:

InChI=1S/C8H10N2O2/c1-5-4-7(12-10-5)9-8(11)6-2-3-6/h4,6H,2-3H2,1H3,(H,9,11)

InChIKey:

ICIVRYAXFYPMRV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N(c1cc(C)no1)C(C2CC2)=O
CACTVS 3.385	Cc1cc(NC(=O)C2CC2)on1
OpenEye OEToolkits 2.0.6	Cc1cc(on1)NC(=O)C2CC2

Name:

N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).